smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(-c2csc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c(C)o1	ZINC000120765828	823059991	/nfs/dbraw/zinc/05/99/91/823059991.db2.gz	OCLFNUGHQSPKGR-UHFFFAOYSA-N	-1	0	393.446	4.037	20	10		GICDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2cc(F)ccc2C)n1	ZINC000121627938	823218763	/nfs/dbraw/zinc/21/87/63/823218763.db2.gz	CZWYTOYGVZKDLW-UHFFFAOYSA-N	-1	0	378.450	4.067	20	10		GICDRM
O=S(=O)([N-]c1nc2c(s1)COc1ccccc1-2)c1ccc(Cl)s1	ZINC000057689837	823321729	/nfs/dbraw/zinc/32/17/29/823321729.db2.gz	KPFUYMFRWXDBDS-UHFFFAOYSA-N	-1	0	384.891	4.218	20	10		GICDRM
COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1C	ZINC000016347737	818427795	/nfs/dbraw/zinc/42/77/95/818427795.db2.gz	PIMGJVGPCPZUCC-SXGWCWSVSA-N	-1	0	385.466	4.108	20	10		GICDRM
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000028964889	820377899	/nfs/dbraw/zinc/37/78/99/820377899.db2.gz	DUFYWMZJDBMERP-MGWVCDIQSA-N	-1	0	378.475	4.080	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2cccnc2)cs1)c1ccc(Cl)c(Cl)c1	ZINC000041573568	821212109	/nfs/dbraw/zinc/21/21/09/821212109.db2.gz	GSHMKQXHNCPSHT-UHFFFAOYSA-N	-1	0	386.285	4.313	20	10		GICDRM
CC(C)[C@H](NCc1c([O-])ccc(Cl)c1F)c1nc(-c2cccnc2)no1	ZINC000190942476	823627974	/nfs/dbraw/zinc/62/79/74/823627974.db2.gz	SSWBMNUJMCRBRD-INIZCTEOSA-N	-1	0	376.819	4.117	20	10		GICDRM
O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(N4CCCCC4)cc3)nc2c1	ZINC000740190800	599802445	/nfs/dbraw/zinc/80/24/45/599802445.db2.gz	SUZPNDAMSNAXSA-IZZDOVSWSA-N	-1	0	375.428	4.194	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1ccc(C(F)(F)F)cc1	ZINC000057690402	823321999	/nfs/dbraw/zinc/32/19/99/823321999.db2.gz	HQDVRRIXOONPLV-UHFFFAOYSA-N	-1	0	385.392	4.025	20	10		GICDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1	ZINC000189422127	823412532	/nfs/dbraw/zinc/41/25/32/823412532.db2.gz	WJBYHDOLNQKHEJ-UHFFFAOYSA-N	-1	0	396.515	4.085	20	10		GICDRM
O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl	ZINC000028976943	820379200	/nfs/dbraw/zinc/37/92/00/820379200.db2.gz	KSVKHGBZTUUQPH-ZSOIEALJSA-N	-1	0	392.845	4.360	20	10		GICDRM
Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1nc(-c2cccnc2)cs1	ZINC000178179283	822343810	/nfs/dbraw/zinc/34/38/10/822343810.db2.gz	OZBNMPAOMZTAAQ-UHFFFAOYSA-N	-1	0	399.419	4.333	20	10		GICDRM
Cc1nc(C)c(-c2csc([N-]S(=O)(=O)c3cc(C)cc(F)c3)n2)s1	ZINC000178180547	822344273	/nfs/dbraw/zinc/34/42/73/822344273.db2.gz	ODFCLABEEYDGDN-UHFFFAOYSA-N	-1	0	383.495	4.132	20	10		GICDRM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3csc(C4CC4)n3)SC2=S)c1	ZINC000063276702	823659140	/nfs/dbraw/zinc/65/91/40/823659140.db2.gz	QNHGPHVDNAVOBX-QPEQYQDCSA-N	-1	0	388.495	4.125	20	10		GICDRM
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000125914196	823742486	/nfs/dbraw/zinc/74/24/86/823742486.db2.gz	DBMIZZPCJVPBES-LLVKDONJSA-N	-1	0	388.316	4.296	20	10		GICDRM
COc1ccc(C(=O)N2CCCC2)cc1N[C@H](C)c1ccc(F)c(F)c1[O-]	ZINC000187894208	823153892	/nfs/dbraw/zinc/15/38/92/823153892.db2.gz	LELWHANQUGKFJC-GFCCVEGCSA-N	-1	0	376.403	4.088	20	10		GICDRM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	ZINC000006057497	817646034	/nfs/dbraw/zinc/64/60/34/817646034.db2.gz	RRNYHJWXPWDACZ-YRNVUSSQSA-N	-1	0	376.286	4.059	20	10		GICDRM
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000057949355	823349831	/nfs/dbraw/zinc/34/98/31/823349831.db2.gz	DGAHNTJFLJKUOF-FQEVSTJZSA-N	-1	0	391.383	4.080	20	10		GICDRM
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1sccc1Br	ZINC000123898075	823549894	/nfs/dbraw/zinc/54/98/94/823549894.db2.gz	RUMDBDZCPXXMGU-UHFFFAOYSA-N	-1	0	390.324	4.449	20	10		GICDRM
CCN(CC)c1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1F	ZINC000737089380	600516067	/nfs/dbraw/zinc/51/60/67/600516067.db2.gz	UBXLRSJTHJYGSN-POHAHGRESA-N	-1	0	381.407	4.189	20	10		GICDRM
CCn1c2ccccc2c2cc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)ccc21	ZINC000001129718	817374814	/nfs/dbraw/zinc/37/48/14/817374814.db2.gz	UJKUWSGQTZRPDK-YVLHZVERSA-N	-1	0	396.493	4.100	20	10		GICDRM
COc1ccccc1S(=O)(=O)[N-]c1nc(-c2ccccc2Cl)cs1	ZINC000057719901	823324443	/nfs/dbraw/zinc/32/44/43/823324443.db2.gz	ZOEQOBSSXTUTGC-UHFFFAOYSA-N	-1	0	380.878	4.273	20	10		GICDRM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S	ZINC000015034391	818285431	/nfs/dbraw/zinc/28/54/31/818285431.db2.gz	PAVKCJDECCDAEV-LGMDPLHJSA-N	-1	0	383.494	4.420	20	10		GICDRM
COc1ccc(-c2nc([N-]S(=O)(=O)c3sc(C)nc3C)sc2C)cc1	ZINC000177081386	823366349	/nfs/dbraw/zinc/36/63/49/823366349.db2.gz	ORSUBCYUBXOQDJ-UHFFFAOYSA-N	-1	0	395.531	4.001	20	10		GICDRM
O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1	ZINC000033315457	821055096	/nfs/dbraw/zinc/05/50/96/821055096.db2.gz	XXIATVPAMIKIIK-ZSOIEALJSA-N	-1	0	392.845	4.360	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2cccs2)cs1)c1ccc(C(F)(F)F)nc1	ZINC000181309043	821747755	/nfs/dbraw/zinc/74/77/55/821747755.db2.gz	HEJKXHPHLGWPGQ-UHFFFAOYSA-N	-1	0	391.421	4.086	20	10		GICDRM
COc1c(C)cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1C	ZINC000063454075	823672387	/nfs/dbraw/zinc/67/23/87/823672387.db2.gz	JYIIJYWJJVHDSJ-PTNGSMBKSA-N	-1	0	393.530	4.158	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccco2)cs1)c1ccc(CC(F)(F)F)cc1	ZINC000191747743	823755759	/nfs/dbraw/zinc/75/57/59/823755759.db2.gz	QKBQHWLFNYEBST-UHFFFAOYSA-N	-1	0	388.392	4.309	20	10		GICDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2ccc(C)c(F)c2)n1	ZINC000121628293	823218884	/nfs/dbraw/zinc/21/88/84/823218884.db2.gz	NVSNFRBBGAUYJA-UHFFFAOYSA-N	-1	0	378.450	4.067	20	10		GICDRM
O=C([O-])CCCCCN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S	ZINC000002829619	817402426	/nfs/dbraw/zinc/40/24/26/817402426.db2.gz	KYQJYUAQRFMMMG-UKTHLTGXSA-N	-1	0	387.885	4.325	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1ccc(Cl)c(Cl)c1	ZINC000057690224	823321904	/nfs/dbraw/zinc/32/19/04/823321904.db2.gz	CHWJEZVEJIBKKF-UHFFFAOYSA-N	-1	0	386.285	4.313	20	10		GICDRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)s2)SC1=S	ZINC000025472768	819987964	/nfs/dbraw/zinc/98/79/64/819987964.db2.gz	AEKNZMFHNAPDQQ-NTUHNPAUSA-N	-1	0	395.914	4.354	20	10		GICDRM
COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1C	ZINC000011292350	818068858	/nfs/dbraw/zinc/06/88/58/818068858.db2.gz	RKSRWVXYHJDPLD-SXGWCWSVSA-N	-1	0	385.466	4.108	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1ccccc1C(F)(F)F	ZINC000057690244	823321859	/nfs/dbraw/zinc/32/18/59/823321859.db2.gz	CWWBPJBHORBCGO-UHFFFAOYSA-N	-1	0	385.392	4.025	20	10		GICDRM
COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c(C)c1	ZINC000016282054	818415278	/nfs/dbraw/zinc/41/52/78/818415278.db2.gz	OVYSMZIDFCVSTM-YBEGLDIGSA-N	-1	0	385.466	4.108	20	10		GICDRM
O=S(=O)([N-]c1nc2c(s1)CCc1ccccc1-2)c1cccc(Cl)c1	ZINC000058693383	823432727	/nfs/dbraw/zinc/43/27/27/823432727.db2.gz	DYMOSEZFYGYKQK-UHFFFAOYSA-N	-1	0	376.890	4.363	20	10		GICDRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc(-c3ccccc3Cl)cs2)c1	ZINC000040945903	821166396	/nfs/dbraw/zinc/16/63/96/821166396.db2.gz	GQIJPYFBZDNGPN-UHFFFAOYSA-N	-1	0	395.849	4.173	20	10		GICDRM
COc1ccc(C)cc1-c1csc([N-]S(=O)(=O)c2cc(C)oc2C)n1	ZINC000183108346	822425614	/nfs/dbraw/zinc/42/56/14/822425614.db2.gz	ANNADCZWOIENMO-UHFFFAOYSA-N	-1	0	378.475	4.138	20	10		GICDRM
Cc1c(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cccc1C(=O)N1CCCC1	ZINC000125632649	823691721	/nfs/dbraw/zinc/69/17/21/823691721.db2.gz	LWXVSUDQFNKHMU-UHFFFAOYSA-N	-1	0	389.839	4.110	20	10		GICDRM
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)s2)cc1	ZINC000063859739	823703322	/nfs/dbraw/zinc/70/33/22/823703322.db2.gz	IEGODKQYGQVZCJ-ZSOIEALJSA-N	-1	0	375.496	4.009	20	10		GICDRM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)c1	ZINC000013339900	818209367	/nfs/dbraw/zinc/20/93/67/818209367.db2.gz	CSRRURNVZKUFRX-VGOFMYFVSA-N	-1	0	377.393	4.069	20	10		GICDRM
CC(=O)c1cccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)c(F)c3)cs2)c1	ZINC000057721507	823324942	/nfs/dbraw/zinc/32/49/42/823324942.db2.gz	UZEBRDXMWWQJMB-UHFFFAOYSA-N	-1	0	394.424	4.092	20	10		GICDRM
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCCC(=O)[O-])c3)SC2=S)cc1	ZINC000016908101	818487723	/nfs/dbraw/zinc/48/77/23/818487723.db2.gz	GNJWZSCZASIPSA-SFQUDFHCSA-N	-1	0	399.493	4.254	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1ccc(CC(F)(F)F)cc1	ZINC000191741222	823753955	/nfs/dbraw/zinc/75/39/55/823753955.db2.gz	AUHVLMNFQKTUSH-UHFFFAOYSA-N	-1	0	399.419	4.111	20	10		GICDRM
CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3Cl)cs2)cc1	ZINC000057719875	823324776	/nfs/dbraw/zinc/32/47/76/823324776.db2.gz	AQWDZDZBOBBWFF-UHFFFAOYSA-N	-1	0	392.889	4.467	20	10		GICDRM
Cc1ccc(NC2=NC(=O)C(=Cc3ccc(OCCC(=O)[O-])cc3)S2)c(C)c1	ZINC000016908020	818487700	/nfs/dbraw/zinc/48/77/00/818487700.db2.gz	DNKVSZJQOHTNLN-LDADJPATSA-N	-1	0	396.468	4.239	20	10		GICDRM
Cc1ccc(N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)c(C)c1	ZINC000028977662	820379220	/nfs/dbraw/zinc/37/92/20/820379220.db2.gz	FAGPEZMFJCCNEP-CXUHLZMHSA-N	-1	0	386.454	4.323	20	10		GICDRM
Cc1nc([C@@H](NCc2c([O-])ccc(Cl)c2F)c2ccc(Cl)cc2)no1	ZINC000191543854	823698111	/nfs/dbraw/zinc/69/81/11/823698111.db2.gz	LCMYMBSBNDRMLS-INIZCTEOSA-N	-1	0	382.222	4.409	20	10		GICDRM
Cc1oc2c(ccc([O-])c2CN2CCO[C@@H](C)C2)c(=O)c1-c1ccccc1Cl	ZINC000014226581	818229911	/nfs/dbraw/zinc/22/99/11/818229911.db2.gz	ZRYHBWAVXIHPEY-ZDUSSCGKSA-N	-1	0	399.874	4.348	20	10		GICDRM
Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccc(OCCC(=O)[O-])cc3)S2)c1	ZINC000016908022	818487858	/nfs/dbraw/zinc/48/78/58/818487858.db2.gz	QNORJRSFQNWOHR-LDADJPATSA-N	-1	0	396.468	4.239	20	10		GICDRM
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)c1	ZINC000028977686	820379406	/nfs/dbraw/zinc/37/94/06/820379406.db2.gz	INPYEPBWZYOODE-CXUHLZMHSA-N	-1	0	386.454	4.323	20	10		GICDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2cccc(Cl)c2)n1	ZINC000103299493	208423086	/nfs/dbraw/zinc/42/30/86/208423086.db2.gz	NZGCIISGCKHHOZ-UHFFFAOYSA-N	-1	0	380.878	4.273	20	10		GICDRM
Cc1cc(Cl)c(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)cc1[N+](=O)[O-]	ZINC000176578857	823240838	/nfs/dbraw/zinc/24/08/38/823240838.db2.gz	WRCYIOUXVWRMCY-UHFFFAOYSA-N	-1	0	399.837	4.074	20	10		GICDRM
CCN(CC)c1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1	ZINC000007502931	817857103	/nfs/dbraw/zinc/85/71/03/817857103.db2.gz	QEINPAITGUZLEH-BOPFTXTBSA-N	-1	0	397.862	4.204	20	10		GICDRM
C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)o1	ZINC000008117489	818002959	/nfs/dbraw/zinc/00/29/59/818002959.db2.gz	LXABAJCXETVMCG-LOWOIUNESA-N	-1	0	379.503	4.249	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1cccc(C(F)(F)F)c1	ZINC000057690232	823321935	/nfs/dbraw/zinc/32/19/35/823321935.db2.gz	VBNYLNVDLJVZMN-UHFFFAOYSA-N	-1	0	385.392	4.025	20	10		GICDRM
CCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1	ZINC000016934992	818489236	/nfs/dbraw/zinc/48/92/36/818489236.db2.gz	MTQJGKUAKVOARZ-SSZFMOIBSA-N	-1	0	393.530	4.322	20	10		GICDRM
COc1ccccc1/C=C/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O	ZINC000020922534	818640932	/nfs/dbraw/zinc/64/09/32/818640932.db2.gz	GZPUKQFKKOOXIH-SZFVZERQSA-N	-1	0	391.514	4.098	20	10		GICDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1	ZINC000189428582	823413823	/nfs/dbraw/zinc/41/38/23/823413823.db2.gz	SFLNZGIOSSEEGV-UHFFFAOYSA-N	-1	0	380.516	4.249	20	10		GICDRM
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000181584694	821890254	/nfs/dbraw/zinc/89/02/54/821890254.db2.gz	AKNMEMKAPDBRAX-MRXNPFEDSA-N	-1	0	399.450	4.032	20	10		GICDRM
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([O-])c(Cl)c1	ZINC000174596754	822810003	/nfs/dbraw/zinc/81/00/03/822810003.db2.gz	PLKAWPMUPRQRJK-ZDUSSCGKSA-N	-1	0	396.821	4.046	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2cccnc2)cs1)c1ccc(CC(F)(F)F)cc1	ZINC000191741063	823753081	/nfs/dbraw/zinc/75/30/81/823753081.db2.gz	RTIUAMJFJRGNDC-UHFFFAOYSA-N	-1	0	399.419	4.111	20	10		GICDRM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S	ZINC000006210103	817667483	/nfs/dbraw/zinc/66/74/83/817667483.db2.gz	PAVKCJDECCDAEV-GHRIWEEISA-N	-1	0	383.494	4.420	20	10		GICDRM
COc1ccccc1S(=O)(=O)[N-]c1nc(-c2ccc(Cl)s2)cs1	ZINC000057735357	823326541	/nfs/dbraw/zinc/32/65/41/823326541.db2.gz	LTFNEGZQHUWHHM-UHFFFAOYSA-N	-1	0	386.907	4.334	20	10		GICDRM
Cc1ccc(NC2=NC(=O)C(=Cc3cccc(OCCC(=O)[O-])c3)S2)c(C)c1	ZINC000016908311	818487882	/nfs/dbraw/zinc/48/78/82/818487882.db2.gz	PJKXZIDCANTHAI-LDADJPATSA-N	-1	0	396.468	4.239	20	10		GICDRM
COc1ccccc1/C=C/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000020922594	818641059	/nfs/dbraw/zinc/64/10/59/818641059.db2.gz	KRHIKSCEUYTPBY-UWNNVHOVSA-N	-1	0	397.477	4.355	20	10		GICDRM
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([O-])c(Cl)c1	ZINC000174596767	822809965	/nfs/dbraw/zinc/80/99/65/822809965.db2.gz	PLKAWPMUPRQRJK-CYBMUJFWSA-N	-1	0	396.821	4.046	20	10		GICDRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F	ZINC000192155521	823883332	/nfs/dbraw/zinc/88/33/32/823883332.db2.gz	CHJRYMQRMWCSGT-UHFFFAOYSA-N	-1	0	381.372	4.073	20	10		GICDRM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1	ZINC000001777309	206391825	/nfs/dbraw/zinc/39/18/25/206391825.db2.gz	WUXNHXASDUBNCK-ZROIWOOFSA-N	-1	0	375.858	4.444	20	10		GICDRM
CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2ccc(F)c(F)c2[O-])c1C	ZINC000187893248	823153581	/nfs/dbraw/zinc/15/35/81/823153581.db2.gz	BJWFMRWUPCLNBU-GFCCVEGCSA-N	-1	0	384.448	4.304	20	10		GICDRM
Cc1cc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)ccc1OC(C)C	ZINC000121594190	823212965	/nfs/dbraw/zinc/21/29/65/823212965.db2.gz	ZRKMCYLCZUEDNK-UHFFFAOYSA-N	-1	0	389.502	4.102	20	10		GICDRM
CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)c(F)c3)cs2)cc1	ZINC000006328950	817677412	/nfs/dbraw/zinc/67/74/12/817677412.db2.gz	URNAJDJGMAEHRG-UHFFFAOYSA-N	-1	0	394.424	4.092	20	10		GICDRM
C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)o1	ZINC000008117487	818002939	/nfs/dbraw/zinc/00/29/39/818002939.db2.gz	LXABAJCXETVMCG-UQZAJDFTSA-N	-1	0	379.503	4.249	20	10		GICDRM
CC(=O)c1cccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)c(C)s2)c1	ZINC000057692678	823322298	/nfs/dbraw/zinc/32/22/98/823322298.db2.gz	DOCBFPVPVZKJOI-UHFFFAOYSA-N	-1	0	390.461	4.261	20	10		GICDRM
O=[N+]([O-])c1cccc(-c2csc([N-]S(=O)(=O)c3ccccc3Cl)n2)c1	ZINC000057720194	823324456	/nfs/dbraw/zinc/32/44/56/823324456.db2.gz	HPTBYZZENDNJHZ-UHFFFAOYSA-N	-1	0	395.849	4.173	20	10		GICDRM
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000028964901	820377866	/nfs/dbraw/zinc/37/78/66/820377866.db2.gz	DUFYWMZJDBMERP-KYMBZKNXSA-N	-1	0	378.475	4.080	20	10		GICDRM
O=C([O-])CCCN1C(=O)/C(=C/c2ccccc2OC2CCCC2)SC1=S	ZINC000063454110	823672410	/nfs/dbraw/zinc/67/24/10/823672410.db2.gz	YGOCUTSTJCWGJU-VBKFSLOCSA-N	-1	0	391.514	4.074	20	10		GICDRM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)ccc1Cl	ZINC000007052410	817748090	/nfs/dbraw/zinc/74/80/90/817748090.db2.gz	NYQCYCOOPTTXTN-UHFFFAOYSA-N	-1	0	395.849	4.173	20	10		GICDRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1cccc2nsnc21	ZINC000014221175	818229328	/nfs/dbraw/zinc/22/93/28/818229328.db2.gz	SSDUZKNTHKOBDR-UHFFFAOYSA-N	-1	0	393.799	4.164	20	10		GICDRM
Cc1nc(C)c(-c2csc([N-]S(=O)(=O)c3cccc(C)c3F)n2)s1	ZINC000181038076	821605759	/nfs/dbraw/zinc/60/57/59/821605759.db2.gz	MOVAHXJZYJDCDM-UHFFFAOYSA-N	-1	0	383.495	4.132	20	10		GICDRM
Cc1cc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)ccc1OC(C)C	ZINC000121577872	823209849	/nfs/dbraw/zinc/20/98/49/823209849.db2.gz	HGHIPTMPDRHGGA-UHFFFAOYSA-N	-1	0	389.502	4.102	20	10		GICDRM
CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(N(C)C)cc2)C1	ZINC000006366746	817683430	/nfs/dbraw/zinc/68/34/30/817683430.db2.gz	BXVOBOQYLJQDOB-GHRIWEEISA-N	-1	0	387.483	4.375	20	10		GICDRM
Cc1sc([N-]S(=O)(=O)c2ccc(Cl)nc2)nc1-c1ccc(F)cc1	ZINC000057692696	823322269	/nfs/dbraw/zinc/32/22/69/823322269.db2.gz	MOHYHTFVDKTSDC-UHFFFAOYSA-N	-1	0	383.857	4.107	20	10		GICDRM
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)c1	ZINC000028977665	820379434	/nfs/dbraw/zinc/37/94/34/820379434.db2.gz	QZRUOCIFAZIGIS-CXUHLZMHSA-N	-1	0	386.454	4.323	20	10		GICDRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nc(-c2ccccc2Cl)cs1	ZINC000040945708	821166443	/nfs/dbraw/zinc/16/64/43/821166443.db2.gz	CUGCKVHNAZOPEZ-UHFFFAOYSA-N	-1	0	395.849	4.173	20	10		GICDRM
Cc1ccc(-c2csc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1C	ZINC000040945841	821166732	/nfs/dbraw/zinc/16/67/32/821166732.db2.gz	ARGUGXZEYSYPMD-UHFFFAOYSA-N	-1	0	389.458	4.136	20	10		GICDRM
Cc1nc([C@H](NCc2c([O-])ccc(Cl)c2F)c2ccc(Cl)cc2)no1	ZINC000191543841	823697944	/nfs/dbraw/zinc/69/79/44/823697944.db2.gz	LCMYMBSBNDRMLS-MRXNPFEDSA-N	-1	0	382.222	4.409	20	10		GICDRM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccc(Cc2nnc3n2CCC3)cc1	ZINC000191648101	823723720	/nfs/dbraw/zinc/72/37/20/823723720.db2.gz	NUKIBSVIUSKFOH-UHFFFAOYSA-N	-1	0	389.286	4.440	20	10		GICDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c1C	ZINC000007323182	817818104	/nfs/dbraw/zinc/81/81/04/817818104.db2.gz	HMHLJXPXMBOOIR-UHFFFAOYSA-N	-1	0	389.458	4.136	20	10		GICDRM
COc1ccc(C)cc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000013215003	818206780	/nfs/dbraw/zinc/20/67/80/818206780.db2.gz	AGZNIKUPAIRMFX-YBEGLDIGSA-N	-1	0	385.466	4.108	20	10		GICDRM
CCc1cccc(N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)c1	ZINC000028977878	820379244	/nfs/dbraw/zinc/37/92/44/820379244.db2.gz	UBGLELJWPHSUCG-MHWRWJLKSA-N	-1	0	386.454	4.269	20	10		GICDRM
Cc1nc(C)c(-c2csc([N-]S(=O)(=O)c3c(C)cccc3F)n2)s1	ZINC000186398713	822888090	/nfs/dbraw/zinc/88/80/90/822888090.db2.gz	CWHGGZHJWMLJBP-UHFFFAOYSA-N	-1	0	383.495	4.132	20	10		GICDRM
CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)c(C)s2)cc1	ZINC000057692675	823322259	/nfs/dbraw/zinc/32/22/59/823322259.db2.gz	BJDGONCWWSDSEG-UHFFFAOYSA-N	-1	0	390.461	4.261	20	10		GICDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2c(C)cccc2F)n1	ZINC000186392906	822887089	/nfs/dbraw/zinc/88/70/89/822887089.db2.gz	ONZQSDQSIMZKCA-UHFFFAOYSA-N	-1	0	378.450	4.067	20	10		GICDRM
CCCCCC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000011291175	818068864	/nfs/dbraw/zinc/06/88/64/818068864.db2.gz	YFSDEMFZHCHXDL-LTNDZONTSA-N	-1	0	375.515	4.479	20	10		GICDRM
O=S(=O)([N-]c1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl	ZINC000057689846	823321722	/nfs/dbraw/zinc/32/17/22/823321722.db2.gz	OIIVVYGPUUHUCN-UHFFFAOYSA-N	-1	0	378.862	4.157	20	10		GICDRM
CCN(CC)c1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1F	ZINC000737089383	600515942	/nfs/dbraw/zinc/51/59/42/600515942.db2.gz	UBXLRSJTHJYGSN-UXBLZVDNSA-N	-1	0	381.407	4.189	20	10		GICDRM
Cc1oc2c(ccc([O-])c2CN2CCO[C@H](C)C2)c(=O)c1-c1ccccc1Cl	ZINC000014226578	818229897	/nfs/dbraw/zinc/22/98/97/818229897.db2.gz	ZRYHBWAVXIHPEY-CYBMUJFWSA-N	-1	0	399.874	4.348	20	10		GICDRM
CC(=O)c1cccc(S(=O)(=O)[N-]c2nc(-c3ccccc3Cl)cs2)c1	ZINC000057719880	823324576	/nfs/dbraw/zinc/32/45/76/823324576.db2.gz	TYRLZCOOMSNDLU-UHFFFAOYSA-N	-1	0	392.889	4.467	20	10		GICDRM
O=C([O-])c1ccc(NNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1	ZINC000016190908	818404228	/nfs/dbraw/zinc/40/42/28/818404228.db2.gz	VEJBMEFZRPSOBD-UHFFFAOYSA-N	-1	0	379.441	4.491	20	10		GICDRM
Cc1cc(S(=O)(=O)[N-]c2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(C)o1	ZINC000183111220	822425877	/nfs/dbraw/zinc/42/58/77/822425877.db2.gz	KDNKRNDLLWTRKS-UHFFFAOYSA-N	-1	0	393.446	4.037	20	10		GICDRM
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c1	ZINC000126147309	823800025	/nfs/dbraw/zinc/80/00/25/823800025.db2.gz	QNOJCBGPVWEYEP-UHFFFAOYSA-N	-1	0	382.850	4.060	20	10		GICDRM
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl	ZINC000176211447	823153832	/nfs/dbraw/zinc/15/38/32/823153832.db2.gz	UNIXHSZCCMOTLP-UHFFFAOYSA-N	-1	0	375.277	4.327	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1cnc(Cl)c(Cl)c1	ZINC000006858706	817720623	/nfs/dbraw/zinc/72/06/23/817720623.db2.gz	ONBUWBJIXHBZFQ-UHFFFAOYSA-N	-1	0	386.285	4.313	20	10		GICDRM
[O-]c1c(Cl)cc(Cl)cc1CN1CCOC[C@H]1C[C@H](O)c1ccccc1	ZINC000180715024	821413647	/nfs/dbraw/zinc/41/36/47/821413647.db2.gz	GXVCDTKTPJIJRN-AEFFLSMTSA-N	-1	0	382.287	4.024	20	10		GICDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(-c2ccc(C)c(C)c2)cs1	ZINC000185608622	822801719	/nfs/dbraw/zinc/80/17/19/822801719.db2.gz	FXXFQKQHQQPBPW-UHFFFAOYSA-N	-1	0	399.497	4.108	20	10		GICDRM
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCCC(=O)[O-])cc3)SC2=S)cc1	ZINC000016907814	818487185	/nfs/dbraw/zinc/48/71/85/818487185.db2.gz	VJLHTGGAMAQJTG-SFQUDFHCSA-N	-1	0	399.493	4.254	20	10		GICDRM
CCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000023215728	818911149	/nfs/dbraw/zinc/91/11/49/818911149.db2.gz	CAPNPDVHPNMXFM-WJDWOHSUSA-N	-1	0	385.466	4.189	20	10		GICDRM
CC(C)CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000040938466	821165836	/nfs/dbraw/zinc/16/58/36/821165836.db2.gz	SCKOXFOKEKVKLR-FOWTUZBSSA-N	-1	0	393.530	4.178	20	10		GICDRM
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000125913931	823742524	/nfs/dbraw/zinc/74/25/24/823742524.db2.gz	DBMIZZPCJVPBES-NSHDSACASA-N	-1	0	388.316	4.296	20	10		GICDRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1	ZINC000192155476	823883448	/nfs/dbraw/zinc/88/34/48/823883448.db2.gz	QJWUHKVLBXTNHD-UHFFFAOYSA-N	-1	0	398.556	4.408	20	10		GICDRM
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(Cl)s2)SC1=S	ZINC000014176995	818226509	/nfs/dbraw/zinc/22/65/09/818226509.db2.gz	ZDVFGJBTNGPGMN-CSKARUKUSA-N	-1	0	375.924	4.248	20	10		GICDRM
Cc1ccc(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)cc1C	ZINC000003768670	817494923	/nfs/dbraw/zinc/49/49/23/817494923.db2.gz	QABOCEVUKDSNRT-SXGWCWSVSA-N	-1	0	386.454	4.323	20	10		GICDRM
Cc1sc([N-]S(=O)(=O)c2cccc3cccnc32)nc1-c1ccccc1	ZINC000005924715	817630704	/nfs/dbraw/zinc/63/07/04/817630704.db2.gz	FBRMQOXRTDGZOQ-UHFFFAOYSA-N	-1	0	381.482	4.468	20	10		GICDRM
O=C([O-])CCCCCN1C(=O)/C(=C\c2cc3ccccc3o2)SC1=S	ZINC000011290941	818068920	/nfs/dbraw/zinc/06/89/20/818068920.db2.gz	CPLLGWCQLCRXMU-RVDMUPIBSA-N	-1	0	375.471	4.279	20	10		GICDRM
COc1ccccc1S(=O)(=O)[N-]c1nc(-c2ccc(F)cc2)c(C)s1	ZINC000057692692	823322173	/nfs/dbraw/zinc/32/21/73/823322173.db2.gz	UBLQIZBACWVWSB-UHFFFAOYSA-N	-1	0	378.450	4.067	20	10		GICDRM
Cc1cccc(N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)c1C	ZINC000028977657	820379328	/nfs/dbraw/zinc/37/93/28/820379328.db2.gz	CWNZLQODLXWVMK-CXUHLZMHSA-N	-1	0	386.454	4.323	20	10		GICDRM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3c(F)cccc3F)SC2=S)c1	ZINC000032790081	821008472	/nfs/dbraw/zinc/00/84/72/821008472.db2.gz	BIHJAYBEIPHEST-RIYZIHGNSA-N	-1	0	377.393	4.069	20	10		GICDRM
[O-]c1c(Cl)cc(Cl)cc1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000180715039	821413622	/nfs/dbraw/zinc/41/36/22/821413622.db2.gz	GXVCDTKTPJIJRN-FUHWJXTLSA-N	-1	0	382.287	4.024	20	10		GICDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2cc(C)cc(F)c2)n1	ZINC000178180306	822344576	/nfs/dbraw/zinc/34/45/76/822344576.db2.gz	WOIJYSYYJJJAKC-UHFFFAOYSA-N	-1	0	378.450	4.067	20	10		GICDRM
CC(C)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1nc(-c2cccnc2)no1	ZINC000190942495	823627987	/nfs/dbraw/zinc/62/79/87/823627987.db2.gz	SSWBMNUJMCRBRD-MRXNPFEDSA-N	-1	0	376.819	4.117	20	10		GICDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2cc(C)ccc2F)n1	ZINC000121628100	823218744	/nfs/dbraw/zinc/21/87/44/823218744.db2.gz	RBHTXRRXLDMSHP-UHFFFAOYSA-N	-1	0	378.450	4.067	20	10		GICDRM
O=[N+]([O-])c1cccc(-c2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1	ZINC000013776374	818215575	/nfs/dbraw/zinc/21/55/75/818215575.db2.gz	QMTUGYVKSXGQAX-UHFFFAOYSA-N	-1	0	395.849	4.173	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1cccc(Cl)c1Cl	ZINC000057690293	823321988	/nfs/dbraw/zinc/32/19/88/823321988.db2.gz	MGZWIJBZGSVMJZ-UHFFFAOYSA-N	-1	0	386.285	4.313	20	10		GICDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2ccccc2SC)n1	ZINC000186968652	822989404	/nfs/dbraw/zinc/98/94/04/822989404.db2.gz	OJTLLVQIRBLABX-UHFFFAOYSA-N	-1	0	392.527	4.341	20	10		GICDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(C)c(C)c1O	ZINC000187059287	823005069	/nfs/dbraw/zinc/00/50/69/823005069.db2.gz	ZRIJUSDMCZPWHO-UHFFFAOYSA-N	-1	0	384.379	4.009	20	10		GICDRM
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000123883905	823548995	/nfs/dbraw/zinc/54/89/95/823548995.db2.gz	RLAVQVCMXICOFK-UHFFFAOYSA-N	-1	0	384.841	4.186	20	10		GICDRM
O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(N4CCCCC4)cc3)nc2c1	ZINC000740190801	599802313	/nfs/dbraw/zinc/80/23/13/599802313.db2.gz	SUZPNDAMSNAXSA-WDZFZDKYSA-N	-1	0	375.428	4.194	20	10		GICDRM
CCc1ccc(-c2csc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000005924349	817630828	/nfs/dbraw/zinc/63/08/28/817630828.db2.gz	SHRRJYXAZHLADX-UHFFFAOYSA-N	-1	0	389.458	4.082	20	10		GICDRM
Cc1cc(C)c(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1C	ZINC000007166258	817778414	/nfs/dbraw/zinc/77/84/14/817778414.db2.gz	UFRGYMNGFMRBRK-WJDWOHSUSA-N	-1	0	377.531	4.458	20	10		GICDRM
COc1ccc(C)cc1-c1csc([N-]S(=O)(=O)c2sc(C)nc2C)n1	ZINC000177083362	823367034	/nfs/dbraw/zinc/36/70/34/823367034.db2.gz	BPYQDDBPUARVAC-UHFFFAOYSA-N	-1	0	395.531	4.001	20	10		GICDRM
COc1ccc(N2CCC(NC(=O)c3c([O-])cc(Cl)cc3Cl)CC2)cc1	ZINC000177141464	823380740	/nfs/dbraw/zinc/38/07/40/823380740.db2.gz	QHQIACAYRQXBKI-UHFFFAOYSA-N	-1	0	395.286	4.106	20	10		GICDRM
Cc1cccc(C)c1N1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000028977671	820379180	/nfs/dbraw/zinc/37/91/80/820379180.db2.gz	RYCAQEAGTPTOMT-OQLLNIDSSA-N	-1	0	386.454	4.323	20	10		GICDRM
Cc1ccc(N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)cc1F	ZINC000028977874	820379449	/nfs/dbraw/zinc/37/94/49/820379449.db2.gz	YSJHLPHFBGQKKC-VIZOYTHASA-N	-1	0	390.417	4.154	20	10		GICDRM
COc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000035582347	821065672	/nfs/dbraw/zinc/06/56/72/821065672.db2.gz	IIQSCKAGAXTRKF-SXGWCWSVSA-N	-1	0	399.428	4.008	20	10		GICDRM
Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1C	ZINC000040945655	821166645	/nfs/dbraw/zinc/16/66/45/821166645.db2.gz	PWGUWDVWMVPKOO-UHFFFAOYSA-N	-1	0	389.458	4.136	20	10		GICDRM
[O-]c1c(Cl)cc(Cl)cc1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1	ZINC000180715059	821413601	/nfs/dbraw/zinc/41/36/01/821413601.db2.gz	GXVCDTKTPJIJRN-WMZOPIPTSA-N	-1	0	382.287	4.024	20	10		GICDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2cccc(C)c2F)n1	ZINC000181037044	821605036	/nfs/dbraw/zinc/60/50/36/821605036.db2.gz	GKCUECUSXOCUHH-UHFFFAOYSA-N	-1	0	378.450	4.067	20	10		GICDRM
CSc1ccccc1S(=O)(=O)[N-]c1nc(-c2sc(C)nc2C)cs1	ZINC000186970207	822989641	/nfs/dbraw/zinc/98/96/41/822989641.db2.gz	UNUNEKVXERPHEU-UHFFFAOYSA-N	-1	0	397.572	4.406	20	10		GICDRM
Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(C)c(C)c1O	ZINC000187059972	823005134	/nfs/dbraw/zinc/00/51/34/823005134.db2.gz	UWWCDOAQCAMDGO-UHFFFAOYSA-N	-1	0	375.368	4.017	20	10		GICDRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)s2)SC1=S	ZINC000023857067	818986596	/nfs/dbraw/zinc/98/65/96/818986596.db2.gz	OVYXWODXMYIPOL-NTUHNPAUSA-N	-1	0	395.914	4.354	20	10		GICDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(-c2ccc(C)cc2C)cs1	ZINC000185609577	822801850	/nfs/dbraw/zinc/80/18/50/822801850.db2.gz	SKWKZMQZWANNQI-UHFFFAOYSA-N	-1	0	399.497	4.108	20	10		GICDRM
COc1ccc(C(=O)N2CCCC2)cc1N[C@@H](C)c1ccc(F)c(F)c1[O-]	ZINC000187894179	823153586	/nfs/dbraw/zinc/15/35/86/823153586.db2.gz	LELWHANQUGKFJC-LBPRGKRZSA-N	-1	0	376.403	4.088	20	10		GICDRM
O=C1c2ccccc2N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N1Cc1ccco1	ZINC000007112558	817763643	/nfs/dbraw/zinc/76/36/43/817763643.db2.gz	PRDINUONKQXOAQ-GOSISDBHSA-N	-1	0	399.790	4.314	20	10		GICDRM
CCc1oc2ccccc2c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000008199231	818016715	/nfs/dbraw/zinc/01/67/15/818016715.db2.gz	RIFNFZJQSUNICZ-GDNBJRDFSA-N	-1	0	375.471	4.061	20	10		GICDRM
Cc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(C)c1O	ZINC000013058532	818201223	/nfs/dbraw/zinc/20/12/23/818201223.db2.gz	NTCHZBANWRROSN-NVNXTCNLSA-N	-1	0	385.466	4.113	20	10		GICDRM
CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3cc(F)ccc3F)cs2)cc1	ZINC000057690766	823321820	/nfs/dbraw/zinc/32/18/20/823321820.db2.gz	XZJNLRPIXVAQOI-UHFFFAOYSA-N	-1	0	394.424	4.092	20	10		GICDRM
O=[N+]([O-])c1cccc(-c2csc([N-]S(=O)(=O)c3cccc(Cl)c3)n2)c1	ZINC000057720141	823324689	/nfs/dbraw/zinc/32/46/89/823324689.db2.gz	FEMBGZNHUGMQSA-UHFFFAOYSA-N	-1	0	395.849	4.173	20	10		GICDRM
CC(C)Oc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O	ZINC000021271679	818670632	/nfs/dbraw/zinc/67/06/32/818670632.db2.gz	OSCPWQBZENXOOU-VBKFSLOCSA-N	-1	0	393.530	4.320	20	10		GICDRM
O=S(=O)([N-]c1ccc(-c2cnc(C3CC3)o2)cc1)c1cccc2nsnc21	ZINC000026548258	820112563	/nfs/dbraw/zinc/11/25/63/820112563.db2.gz	YUIAAHOSRZSMQG-UHFFFAOYSA-N	-1	0	398.469	4.025	20	10		GICDRM
O=C1c2ccccc2N[C@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N1Cc1ccco1	ZINC000007112559	817763720	/nfs/dbraw/zinc/76/37/20/817763720.db2.gz	PRDINUONKQXOAQ-SFHVURJKSA-N	-1	0	399.790	4.314	20	10		GICDRM
CCCOc1cccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1	ZINC000040927893	821165678	/nfs/dbraw/zinc/16/56/78/821165678.db2.gz	FOBZMYRXBGUPJJ-DTQAZKPQSA-N	-1	0	393.530	4.322	20	10		GICDRM
CC(=O)c1cccc(S(=O)(=O)[N-]c2nc(-c3cc(F)ccc3F)cs2)c1	ZINC000057690773	823321897	/nfs/dbraw/zinc/32/18/97/823321897.db2.gz	UAGLPUYXTNKPPE-UHFFFAOYSA-N	-1	0	394.424	4.092	20	10		GICDRM
Cc1ccc(C)c(NC2=NC(=O)C(=Cc3cccc(OCCC(=O)[O-])c3)S2)c1	ZINC000016908313	818487650	/nfs/dbraw/zinc/48/76/50/818487650.db2.gz	PLVDUNUBJZMTBA-LDADJPATSA-N	-1	0	396.468	4.239	20	10		GICDRM
CCc1ccc(N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000028977708	820379287	/nfs/dbraw/zinc/37/92/87/820379287.db2.gz	NEIDIGRDPZLCDX-MHWRWJLKSA-N	-1	0	386.454	4.269	20	10		GICDRM
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000033378179	821055535	/nfs/dbraw/zinc/05/55/35/821055535.db2.gz	SBNOYOMSRATNOV-MHWRWJLKSA-N	-1	0	385.466	4.189	20	10		GICDRM
CC(C)Oc1cccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1	ZINC000040927905	821165809	/nfs/dbraw/zinc/16/58/09/821165809.db2.gz	SBJFFORRDXTSIS-FOWTUZBSSA-N	-1	0	393.530	4.320	20	10		GICDRM
[O-]c1c(Cl)cc(Cl)cc1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1	ZINC000180715004	821413534	/nfs/dbraw/zinc/41/35/34/821413534.db2.gz	GXVCDTKTPJIJRN-SJLPKXTDSA-N	-1	0	382.287	4.024	20	10		GICDRM
CCCS(=O)(=O)Nc1cccc(N[C@@H](C)c2ccc(F)c(F)c2[O-])c1C	ZINC000187893234	823153535	/nfs/dbraw/zinc/15/35/35/823153535.db2.gz	BJWFMRWUPCLNBU-LBPRGKRZSA-N	-1	0	384.448	4.304	20	10		GICDRM
Cc1cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c(C)n1C1CC1	ZINC000013264698	818208460	/nfs/dbraw/zinc/20/84/60/818208460.db2.gz	RXSXZFPSEZVOJA-WJDWOHSUSA-N	-1	0	392.546	4.286	20	10		GICDRM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)c1	ZINC000013343324	818210138	/nfs/dbraw/zinc/21/01/38/818210138.db2.gz	OIUPYLIZUZGLHJ-VGOFMYFVSA-N	-1	0	377.393	4.069	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1c(Cl)cccc1Cl	ZINC000057690317	823322082	/nfs/dbraw/zinc/32/20/82/823322082.db2.gz	AVQZYOWGSXKIFZ-UHFFFAOYSA-N	-1	0	386.285	4.313	20	10		GICDRM
Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])c(OCC(=O)N(C)C)c1	ZINC000122575189	823375525	/nfs/dbraw/zinc/37/55/25/823375525.db2.gz	RAJOBCLFUHLJMI-UHFFFAOYSA-N	-1	0	383.275	4.087	20	10		GICDRM
CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc(OCc2ccccc2)cc1	ZINC000189647041	823466588	/nfs/dbraw/zinc/46/65/88/823466588.db2.gz	YERDSHMPYATXQJ-UHFFFAOYSA-N	-1	0	377.469	4.200	20	10		GICDRM
COc1cc(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000035600484	821065769	/nfs/dbraw/zinc/06/57/69/821065769.db2.gz	QHTGPPWZOHDTJN-SXGWCWSVSA-N	-1	0	399.428	4.008	20	10		GICDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000183331839	822460096	/nfs/dbraw/zinc/46/00/96/822460096.db2.gz	DYERBZAGSMRXBS-UHFFFAOYSA-N	-1	0	378.394	4.072	20	10		GICDRM
CC(C)CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000007166577	817778282	/nfs/dbraw/zinc/77/82/82/817778282.db2.gz	SCKOXFOKEKVKLR-VBKFSLOCSA-N	-1	0	393.530	4.178	20	10		GICDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc(-c3cccs3)cs2)c1C	ZINC000007323626	817818092	/nfs/dbraw/zinc/81/80/92/817818092.db2.gz	SCRJEZUXRDBMNP-UHFFFAOYSA-N	-1	0	395.487	4.197	20	10		GICDRM
Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccccc3OCCC(=O)[O-])S2)c1	ZINC000016911736	818488782	/nfs/dbraw/zinc/48/87/82/818488782.db2.gz	HRMMWNQQEOMQGU-LDADJPATSA-N	-1	0	396.468	4.239	20	10		GICDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000033285018	821055076	/nfs/dbraw/zinc/05/50/76/821055076.db2.gz	UXHWRLDRMVQTIP-ATVHPVEESA-N	-1	0	398.340	4.427	20	10		GICDRM
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000181584680	821890064	/nfs/dbraw/zinc/89/00/64/821890064.db2.gz	AKNMEMKAPDBRAX-INIZCTEOSA-N	-1	0	399.450	4.032	20	10		GICDRM
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(C)C)c(O)cc1C	ZINC000181731003	821965544	/nfs/dbraw/zinc/96/55/44/821965544.db2.gz	OEHLXZHERZKNFV-UHFFFAOYSA-N	-1	0	379.526	4.094	20	10		GICDRM
O=C(c1ccccc1)N1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000179482782	822489328	/nfs/dbraw/zinc/48/93/28/822489328.db2.gz	WLPANTRPCZWILD-UHFFFAOYSA-N	-1	0	379.287	4.047	20	10		GICDRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(-c2cccs2)cs1	ZINC000170551584	823920660	/nfs/dbraw/zinc/92/06/60/823920660.db2.gz	YGZZQEFDYZEHTB-UHFFFAOYSA-N	-1	0	386.907	4.334	20	10		GICDRM
COc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1	ZINC000001514699	212249236	/nfs/dbraw/zinc/24/92/36/212249236.db2.gz	JSGYRICQHHNONI-UHFFFAOYSA-N	-1	0	380.878	4.273	20	10		GICDRM
O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)s2)SC1=S	ZINC000013678228	818215107	/nfs/dbraw/zinc/21/51/07/818215107.db2.gz	OVYXWODXMYIPOL-QPEQYQDCSA-N	-1	0	395.914	4.354	20	10		GICDRM
COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000057949351	823349758	/nfs/dbraw/zinc/34/97/58/823349758.db2.gz	DGAHNTJFLJKUOF-HXUWFJFHSA-N	-1	0	391.383	4.080	20	10		GICDRM
COc1ccc(N(Cc2ccccc2)Cc2nc(=O)c3sccc3[n-]2)cc1	ZINC000023185542	818905628	/nfs/dbraw/zinc/90/56/28/818905628.db2.gz	AYVQLGBHDMNJHF-UHFFFAOYSA-N	-1	0	377.469	4.200	20	10		GICDRM
CS(=O)(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1Cl	ZINC000122751476	823405684	/nfs/dbraw/zinc/40/56/84/823405684.db2.gz	YIBQHKVQZCIJOY-UHFFFAOYSA-N	-1	0	395.695	4.336	20	10		GICDRM
Cc1sc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccc(F)cc1	ZINC000064241952	823779298	/nfs/dbraw/zinc/77/92/98/823779298.db2.gz	DXBJLUIXSFEVRQ-UHFFFAOYSA-N	-1	0	399.450	4.028	20	10		GICDRM
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c1	ZINC000126099542	823787404	/nfs/dbraw/zinc/78/74/04/823787404.db2.gz	QSTCMVVTFPPIPP-UHFFFAOYSA-N	-1	0	392.889	4.467	20	10		GICDRM
Cc1cc(-c2csc([N-]S(=O)(=O)c3cccc4cnccc43)n2)c(C)o1	ZINC000120763098	823059200	/nfs/dbraw/zinc/05/92/00/823059200.db2.gz	IEBKAXMJPOMWOM-UHFFFAOYSA-N	-1	0	385.470	4.369	20	10		GICDRM
O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1ccc(N3CCOCC3)cc1)CC2	ZINC000013339325	818209628	/nfs/dbraw/zinc/20/96/28/818209628.db2.gz	CXQQDRTTXJKFNR-BMRADRMJSA-N	-1	0	386.451	4.256	20	10		GICDRM
CCc1ccccc1N1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000028977868	820379266	/nfs/dbraw/zinc/37/92/66/820379266.db2.gz	DGSAEUUKICMZKG-MHWRWJLKSA-N	-1	0	386.454	4.269	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)nc1	ZINC000181308375	821747803	/nfs/dbraw/zinc/74/78/03/821747803.db2.gz	KHNDBXBNEYCKKK-UHFFFAOYSA-N	-1	0	385.392	4.025	20	10		GICDRM
Cc1ccccc1-c1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)n1	ZINC000181310773	821749146	/nfs/dbraw/zinc/74/91/46/821749146.db2.gz	JXEJFPYTNDDYBL-UHFFFAOYSA-N	-1	0	399.419	4.333	20	10		GICDRM
COc1ccccc1S(=O)(=O)[N-]c1nc(-c2ccc(SC)cc2)cs1	ZINC000060934601	823567746	/nfs/dbraw/zinc/56/77/46/823567746.db2.gz	NDWUQUILBIXJAZ-UHFFFAOYSA-N	-1	0	392.527	4.341	20	10		GICDRM
O=S(=O)([N-]c1nc(-c2cccc(F)c2)cs1)c1cccc2cnccc21	ZINC000126324975	823840433	/nfs/dbraw/zinc/84/04/33/823840433.db2.gz	UYKVXMZUBMJVIA-UHFFFAOYSA-N	-1	0	385.445	4.298	20	10		GICDRM